2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one

C22H24N4O2 — CID 119491082

IUPAC2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one
SMILESCNC1CCCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1
InChIInChI=1S/C22H24N4O2/c1-23-17-10-7-13-25(15-17)22(28)20-18-11-5-6-12-19(18)21(27)26(24-20)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17,23H,7,10,13-15H2,1H3
InChIKeyHEZMFUGHTPJEAM-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.27
Rot. Bonds4

About 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one

2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one (PubChem CID 119491082) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one.

Molecular Properties

Compound Name2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one
PubChem CID119491082
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one
SMILESCNC1CCCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1
InChIInChI=1S/C22H24N4O2/c1-23-17-10-7-13-25(15-17)22(28)20-18-11-5-6-12-19(18)21(27)26(24-20)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17,23H,7,10,13-15H2,1H3
InChIKeyHEZMFUGHTPJEAM-UHFFFAOYSA-N
XLogP2.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 119492763
2-benzyl-4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phthalazin-1-one
CID 99807086
2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
CID 41247250
2-benzyl-4-(4-methyl-1,4-diazepane-1-carbonyl)phthalazin-1-one
CID 78769150
1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide
CID 55903511
(2S)-4-(3-benzyl-4-oxophthalazine-1-carbonyl)morpholine-2-carboxylic acid
CID 125151520
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-benzylphthalazin-1-one
CID 120809545
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-benzyl-4-oxophthalazine-1-carboxylate
CID 7276880
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one?
The IUPAC name of 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one (CID 119491082) is 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one.
What is the SMILES notation for 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one?
The canonical SMILES for 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one is CNC1CCCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1.
What is the InChIKey of 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one?
The InChIKey is HEZMFUGHTPJEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-23-17-10-7-13-25(15-17)22(28)20-18-11-5-6-12-19(18)21(27)26(24-20)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17,23H,7,10,13-15H2,1H3.
What are the key properties of 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one?
2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one has a molecular weight of 376.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one is sourced from PubChem (CID 119491082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).